2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine

C47H32N4S — CID 156513080

IUPAC2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)c(C)n1
InChIInChI=1S/C47H32N4S/c1-29-23-28-34(30(2)48-29)31-24-26-33(27-25-31)45-49-44(32-13-4-3-5-14-32)50-46(51-45)37-17-12-21-41-43(37)52-42-22-11-10-20-40(42)47(41)38-18-8-6-15-35(38)36-16-7-9-19-39(36)47/h3-28H,1-2H3
InChIKeyJDEDLZMKFDGEPL-UHFFFAOYSA-N
MW684.87 g/mol
LogP11.38
Rot. Bonds4

About 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine

2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine (PubChem CID 156513080) has the molecular formula C47H32N4S and a molecular weight of 684.87 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
PubChem CID156513080
Molecular FormulaC47H32N4S
Molecular Weight684.87 g/mol
Exact Mass684.23
IUPAC Name2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)c(C)n1
InChIInChI=1S/C47H32N4S/c1-29-23-28-34(30(2)48-29)31-24-26-33(27-25-31)45-49-44(32-13-4-3-5-14-32)50-46(51-45)37-17-12-21-41-43(37)52-42-22-11-10-20-40(42)47(41)38-18-8-6-15-35(38)36-16-7-9-19-39(36)47/h3-28H,1-2H3
InChIKeyJDEDLZMKFDGEPL-UHFFFAOYSA-N
XLogP11.38
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.87
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 153049310
2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 146326974
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 142469864
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 156513124
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 166737804
2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 146326981
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 159943034
4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 156513034
2-[3-[2-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 156513018
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 139307428
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 167178251
5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile
CID 155767872

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine (CID 156513080) is 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine is Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)c(C)n1.
What is the InChIKey of 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine?
The InChIKey is JDEDLZMKFDGEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4S/c1-29-23-28-34(30(2)48-29)31-24-26-33(27-25-31)45-49-44(32-13-4-3-5-14-32)50-46(51-45)37-17-12-21-41-43(37)52-42-22-11-10-20-40(42)47(41)38-18-8-6-15-35(38)36-16-7-9-19-39(36)47/h3-28H,1-2H3.
What are the key properties of 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine?
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine has a molecular weight of 684.87 g/mol, XLogP of 11.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine is sourced from PubChem (CID 156513080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).